UCSF

ZINC43390407

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 6.75 -134.54 4 3 2 41 302.821 5
Mid Mid (pH 6-8) 1.52 4.61 -52.41 3 3 1 40 301.813 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )